SCHEMBL9958824

SCHEMBL9958824

O=C(NCc1ccc(F)cc1)C1C(=O)N(OCc2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KCNA5 P22460 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT5 O14744 5/20 0.43
WDR77 Q9BQA1 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9959313 0.94 KCNA5 (0.48) ALDH1A1KCNA5LMNAMAPTMEN1
SCHEMBL10153706 0.92 PRMT5 (0.43) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL10153600 0.90 MAPT (0.44) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL9959558 0.90 KCNA5 (0.46) ALDH1A1KCNA5LMNAMAPTMEN1
SCHEMBL9959556 0.87 PRMT5 (0.46) ALDH1A1TSHRMAPTL3MBTL1PRMT5
SCHEMBL9959530 0.85 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL9959606 0.84 NPC1 (0.52) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL9959528 0.83 L3MBTL1 (0.37) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL21074868 0.83 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL9959297 0.82 HDAC4 (0.49) ALDH1A1KCNA5TSHRMAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed